3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane
TL;DR: 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane (CAS 133331-34-7) is a chemical compound with molecular formula C29H49BrO4S2 and molecular weight 604.2256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,5S,8S,9S,10R,13R,14S,17R)-3-bromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]spiro[1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-6,2'-1,3-dithiolane] 1',1',3',3'-tetraoxide
Also Known As: beta-Hydroxyethylaprophen, 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane, 3-beta-Bromo-6,6-ethylenedisulfonyl-5-alpha-cholestane, Cholestan-6-one, 3-bromo-, cyclic 1,2-ethanediyl mercaptole, S,S,S',S'-tetraoxide, (3-beta,5-alpha)-, (1R,3aS,3bS,5aS,7S,9aR,9bS,11aR)-7-Bromo-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]hexadecahydro-1'lambda~6~,3'lambda~6~-spiro[cyclopenta[a]phenanthrene-5,2'-[1,3]dithiolane]-1',1',3',3'-tetrone
Technical Specifications
| Molecular Formula | C29H49BrO4S2 |
| Molecular Weight | 604.2256 g/mol |
| XLogP | 8.6 |
| Topological Polar Surface Area (TPSA) | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 604.2256 Da |
| Heavy Atoms | 36 |
| Complexity | 1020.0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC4([C@@H]5[C@@]3(CC[C@@H](C5)Br)C)S(=O)(=O)CCS4(=O)=O)C |
| InChIKey | WGFRITFARSOQJG-WFRQTHGZSA-N |
Chemical Property Profile of 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane
Property Insights of 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane
The XLogP value of 8.6 indicates that 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane. Following Lipinski's Rule of Five, 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane?
The CAS number of 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane is 133331-34-7.
What is the molecular formula of 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane?
The molecular formula of 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane is C29H49BrO4S2.
What is the molecular weight of 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane?
The molecular weight of 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane is 604.2256 g/mol.
Where can I buy 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane?
You can request a quote for 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane?
Yes, CoreyChem provides custom synthesis services for 3beta-Bromo-6,6-(ethylenedisulfonyl)-5alpha-cholestane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.